Showing 19 open source projects for "python package"

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  • 1
    WavePacket (C++/Python)

    WavePacket (C++/Python)

    Time-dependent simulation of open and closed quantum systems

    Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations.
    Downloads: 51 This Week
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  • 2
    xrayutilities

    xrayutilities

    a package with useful scripts for X-ray diffraction physicists

    xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). ...
    Downloads: 13 This Week
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  • 3
    Physical Symbolic Optimization (Φ-SO)

    Physical Symbolic Optimization (Φ-SO)

    Physical Symbolic Optimization

    Physical Symbolic Optimization (Φ-SO) - A symbolic optimization package built for physics. Symbolic regression module uses deep reinforcement learning to infer analytical physical laws that fit data points, searching in the space of functional forms.
    Downloads: 0 This Week
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  • 4
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    ...CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features.
    Downloads: 0 This Week
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  • 5
    ALAMODE

    ALAMODE

    Ab initio simulator for thermal transport and lattice anharmonicity

    ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :...
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    Downloads: 10 This Week
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  • 6
    MaxFEM

    MaxFEM

    Software for electromagnetic simulation

    MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. Since version 0.4.0, MaxFEM requires Python 3. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them.
    Downloads: 3 This Week
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  • 7

    Python Laboratory Operations Toolkit

    many useful snippets for using python in a laboratory

    A toolkit of Python software useful in a laboratory data acquisition and analysis environment. Includes support for such protocols as VXI-11 (and its extension, LXI), Vernier LabPro (now very old), and National Instruments DSTP (now very old). Also includes data analysis and modelling tidbits. Python3 updates are on the way in the very near future for the biggest packages. the vxi11 package is fully up-to-date, although see the blog post about python 3.13
    Downloads: 0 This Week
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  • 8
    WaveTrain (Python)

    WaveTrain (Python)

    Quantum dynamics of chain-like systems using tensor train formats

    WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage schemes, as well as solvers for eigenvalue problems and linear differential equations in the TT format. ...
    Downloads: 4 This Week
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  • 9

    cphcttoolbox

    Cph CT Toolbox is a selection of Computed Tomography tools

    ...The toolbox apps generally take a set of projections (X-ray intensity measurements) and filter and back project them in order to recreate the image or volume that the projections represent. The project includes both mostly informative CPU implementations and highly efficient GPU implementations. Regular releases are hosted at the Python Package Index.
    Downloads: 0 This Week
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  • 10

    GMES

    GMES is a free Python package for FDTD electromagnetic simulations.

    GMES is a free finite-difference time-domain (FDTD) simulation Python package developed at GIST to model photonic devices. Its features include simulation in 1D, 2D, and 3D Cartesian coordinates, distributed memory parallelism on any system supporting the MPI standard, portable to any Unix-like system, variuos dispersive ε(ω) models, CPML absorbing boundaries and/or Bloch-periodic boundary conditions, and arbitrary material and source distributions.
    Downloads: 0 This Week
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  • 11
    WavePacket

    WavePacket

    Dynamics of quantum systems, controlled by external fields

    ...With its visualization of quantum dynamics generated 'on the fly', WavePacket is suitable for teaching quantum mechanics as well as for research projects, see also the numerous demonstration examples . The Matlab/Octave version is mature and has been used in production for decades. The C++/Python version has been superseded by https://github.com/ulflor/wavepacket. Using tensor train techniques, the additional WaveTrain package aims at beating the curse of dimensionalit
    Downloads: 2 This Week
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  • 12
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided.
    Downloads: 0 This Week
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  • 13

    ThermV

    Comprehensive thermal analysis software package

    ...The modules for peak deconvolution, peak profile analysis and determination of Ea and lnA will be provided first. Full GUI will be provided in beta stage. Due to computational limitations, the code is partly programmed in Python and partly in R. Python code will eventually be fully integrated into GUI. R code might remain standalone, although it will be integrated to a highest possible degree. Distributed under GPL
    Downloads: 0 This Week
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  • 14

    PLASMAKIN: a chemical kinetics package

    A library to compute the electron and chemical kinetics on plasmas

    PLASMAKIN is a package to handle physical and chemical data used in plasma physics modeling and to compute gas-phase and gas-surface kinetics data: particle production and loss rates, photon emission spectra and energy exchange rates.
    Downloads: 1 This Week
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  • 15
    LabRAD Experimenter
    A python package that allows scientists to easily create configurable and reusable experiments. Intended for use with the LabRAD framework. Developed by the Haeffner group studying quantum simulation at UC Berkeley. Wiki at lrexp.wikispaces.com
    Downloads: 0 This Week
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  • 16
    HOT is a package of Matlab and Octave compatible functions that manage thermodynamic data for a wide range of species. Functions calculate almost all the most common thermodynamic quantities of mixtures. Python users may also want to look at PYroMat at https://chmarti1.github.io/PYroMat/index.html
    Downloads: 0 This Week
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  • 17
    A Python package that provides classes and tools for dealing with dimensional quantities. Includes a parser for the quantity language (i.e. calculates "3 meters per second in miles per hour") and a class for constructing matrices containing dimensions.
    Downloads: 0 This Week
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  • 18
    A Python package extending NumPy and SciPy to allow specification of numbers and arrays with physical units.
    Downloads: 0 This Week
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  • 19
    Simple Python class for managing tables of data in memory using NumPy. It allows to give names to views of array. The package contains few classes built on top of the basic one to be used as post processing tools for particle optics computations.
    Downloads: 0 This Week
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